1,4-Diethyl 2-methoxy-3-oxobutanedioate
TL;DR: 1,4-Diethyl 2-methoxy-3-oxobutanedioate (CAS 67873-27-2) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methoxy-3-oxobutanedioate
Also Known As: Diethyl methoxyoxalacetate, diethyl 2-methoxy-3-oxosuccinate, diethyl2-methoxy-3-oxosuccinate, diethyl 2-methoxy-3-oxobutanedioate, NIOSH/RO1315000
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | -0.3033 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 246.98712 |
Chemical Identifiers
| CAS Number | 67873-27-2 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(=O)OCC)OC |
Product Overview
1,4-Diethyl 2-methoxy-3-oxobutanedioate (CAS 67873-27-2), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: diethyl 2-methoxy-3-oxobutanedioate.
Chemical Property Profile of 1,4-Diethyl 2-methoxy-3-oxobutanedioate
Property Insights of 1,4-Diethyl 2-methoxy-3-oxobutanedioate
The XLogP value of -0.3033 indicates that 1,4-Diethyl 2-methoxy-3-oxobutanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diethyl 2-methoxy-3-oxobutanedioate. Following Lipinski's Rule of Five, 1,4-Diethyl 2-methoxy-3-oxobutanedioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Diethyl 2-methoxy-3-oxobutanedioate?
The CAS number of 1,4-Diethyl 2-methoxy-3-oxobutanedioate is 67873-27-2.
What is the molecular formula of 1,4-Diethyl 2-methoxy-3-oxobutanedioate?
The molecular formula of 1,4-Diethyl 2-methoxy-3-oxobutanedioate is C9H14O6.
What is the molecular weight of 1,4-Diethyl 2-methoxy-3-oxobutanedioate?
The molecular weight of 1,4-Diethyl 2-methoxy-3-oxobutanedioate is 218.08 g/mol.
Where can I buy 1,4-Diethyl 2-methoxy-3-oxobutanedioate?
You can request a quote for 1,4-Diethyl 2-methoxy-3-oxobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diethyl 2-methoxy-3-oxobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diethyl 2-methoxy-3-oxobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.